3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine

C17H23N3 — CID 61445208

IUPAC3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
SMILESCCCCN(c1nc2ccccc2cc1CN)C1CC1
InChIInChI=1S/C17H23N3/c1-2-3-10-20(15-8-9-15)17-14(12-18)11-13-6-4-5-7-16(13)19-17/h4-7,11,15H,2-3,8-10,12,18H2,1H3
InChIKeyHRLYVPBFXCIFEO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds6

About 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine

3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine (PubChem CID 61445208) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
PubChem CID61445208
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
SMILESCCCCN(c1nc2ccccc2cc1CN)C1CC1
InChIInChI=1S/C17H23N3/c1-2-3-10-20(15-8-9-15)17-14(12-18)11-13-6-4-5-7-16(13)19-17/h4-7,11,15H,2-3,8-10,12,18H2,1H3
InChIKeyHRLYVPBFXCIFEO-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
CID 43541407
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine (CID 61445208) is 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine is CCCCN(c1nc2ccccc2cc1CN)C1CC1.
What is the InChIKey of 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine?
The InChIKey is HRLYVPBFXCIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-3-10-20(15-8-9-15)17-14(12-18)11-13-6-4-5-7-16(13)19-17/h4-7,11,15H,2-3,8-10,12,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine?
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine is sourced from PubChem (CID 61445208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).